N,N-dimethyl-4-[[3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline

Systemtic Name: N,N-dimethyl-4-[[3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Openeye Name: N,N-dimethyl-4-[[3-(2-thienylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline CAS Name: N,N-dimethyl-4-[[3-(thiophen-2-ylmethylthio)-1H-1,2,4-triazol-5-yl]methyl]aniline IUPAC Name: N,N-dimethyl-4-[[3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Traditional Name: dimethyl-[4-[[3-(2-thenylthio)-1H-1,2,4-triazol-5-yl]methyl]phenyl]amine Formula: C16H18N4S2 MolecularWeight: 330.47092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CS3

InChI

InChI=1S/C16H18N4S2/c1-20(2)13-7-5-12(6-8-13)10-15-17-16(19-18-15)22-11-14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,17,18,19)